Geometry & MOs

Info

ID:	326101
PubChem CID:	126686477
Reduced:	F2N4C21H24 (2)
Stoich.:	A2B4C21D24 (2)
Weight, g/mol:	390.062557
ΔH_f, kcal/mol:	-105.91
Dipole, Da:	3.96
IP(EA), eV:	-8.32(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diphenoxy-sulfanylidene-sulfido-lambda5-phosphane;1-ethenyl-3-methylimidazol-3-ium

Drug info:

PubChemData

Smile

C1CCC2(CC1)CCN(CC2)C3=C(C=C(C=C3F)N4[C@H](CCC4C5=CC6=C(C=C5F)N=C(N6)[C@@H]7CCCN7)C8=CC9=C(C=C8F)N=C(N9)[C@@H]1CCCN1)F

DOS

IR

Vibrations